A Molecular design tool
http://avogadro.sourceforge.net/wiki/Main_Page
Avogadro is an advanced molecular editor designed
for cross-platform use in computational chemistry,
molecular modeling, bioinformatics, materials science,
and related areas. It offers flexible rendering and
a powerful plugin architecture.
- Sources inherited from project openSUSE:Leap:15.2
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Source Files
Filename | Size | Changed |
---|---|---|
0004-don-t-use-signbit-on-non-float.patch | 0000001267 1.24 KB | |
0005-Link-with-libm.patch | 0000001553 1.52 KB | |
avogadro-1.1.0-avopkg-fix-echo.patch | 0000001143 1.12 KB | |
avogadro-1.2.0.tar.gz | 0016779635 16 MB | |
avogadro-boost.patch | 0000002708 2.64 KB | |
avogadro-opanbabel.patch | 0000000599 599 Bytes | |
avogadro-port-to-eigen3.patch | 0000038243 37.3 KB | |
avogadro.changes | 0000012225 11.9 KB | |
avogadro.png | 0000049428 48.3 KB | |
avogadro.spec | 0000006368 6.22 KB | |
baselibs.conf | 0000000111 111 Bytes |
Revision 17 (latest revision is 18)
Ludwig Nussel (lnussel_factory)
accepted
request 691557
from
Atri Bhattacharya (badshah400)
(revision 17)
- Remove 0006-Fix-libmsym-libdir-for-64bit.patch and define INSTALL_LIB_DIR and INSTALL_CMAKE_DIR via cmdline instead - Add avogadro-port-to-eigen3.patch: Pick commits from upstream to get avogadro building with eigen3; replace libeigen2-devel BuildRequires by eigen3-devel. - Use cmake macros for build (%%cmake_build) and install (%%cmake_install). - Use autosetup to setup source and apply patches in one go. - Minor specfile cleanups: * Use %%license to package COPYING file. * Do away with defattrs for file lists. - Correct buildrequires so xorg-x11-devel is no longer used. - Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2 to cmake to fix build on Tumbleweed - Update to 1.2.0 * Support for the ORCA quantum chemistry package, thanks to Dagmar Lenk, including input generation and output parsing * Improved support for MO calculations, including orbitals with F, G, H, and I angular momentum, thanks to Dagmar Lenk and Albert DeFusco * Support for exporting VRML models of atoms, bonds, surfaces, and orbitals (e.g. for 3D printing), thanks to Ethan Pavolik * Support for perceiving molecular symmetry on Mac and Linux using the libmsym library1 (i.e., Properties -> Symmetry), thanks to Marcus Johansson * Updated links to the new Avogadro website3, manual4, and discussion forum * Fixed support for compiling with the Eigen3 library up to version 3.2.8 * Improved support for space groups through spglib1 * Updated translations1, now including over 25 languages in addition to English * Fixed a bug downloading from the Protein Data Bank * Fixed a bug fetching molecules from the network, including the "chemical by name" * Fixed a bug when naming molecules from the NIH chemical resolver website - drop avogadro-cmake-3.2.patch, arm-qreal-vs-double.patch (upstream) - add 0004-don-t-use-signbit-on-non-float.patch, 0005-Link-with-libm.patch, 0006-Fix-libmsym-libdir-for-64bit.patch - fix package group: Productivity/Scientific/Chemistry - BuildRequire libboost_python-devel instead of boost-devel on Tumbleweed to fix build - Fix buildfailure with openbabel (avogadro-opanbabel.patch) - Add avogadro-boost.patch to fix build failures with boost 1.60.0 - add arm-qreal-vs-double.patch - Added patch to fix building against cmake >= 3.2, libX11 is no longer magically implied. (sf#avogadro/bugs/746) + avogadro-cmake-3.2.patch - fix using 'echo' command in avopkg script - add patches: * avogadro-1.1.0-avopkg-fix-echo.patch - Update to version 1.1.1 * Rudimentary support for retinal display Macs * Support for manual adjustment of the view * DNA/RNA builder * Simple LAMMPS input generator for water * PSI4 input generator added * Fixed QTAIM to work on Windows * Updated gl2ps snapshot - Remove fixed patches * avogadro-1.1.0-no-return-in-nonvoid-function.patch * MopacAuxReaderFix.patch * shlib-pic-flag.patch - Use %cmake macro - Update to version 1.1.1 * Rudimentary support for retinal display Macs * Support for manual adjustment of the view * DNA/RNA builder * Simple LAMMPS input generator for water * PSI4 input generator added * Fixed QTAIM to work on Windows * Updated gl2ps snapshot - Remove fixed patches * avogadro-1.1.0-no-return-in-nonvoid-function.patch * MopacAuxReaderFix.patch * shlib-pic-flag.patch - Use %cmake macro - Compile with %{optflags} - Use RelWithDebInfo build type not to strip binaries - shlib-pic-flag.patch: Always use PIC in shlib objects - added MopacAuxReaderFix.patch to avoid crash when loading aux. - fixed build on SLES - split off python package (also use sitearch for arch-dependent files) - added avogadro-1.1.0-no-return-in-nonvoid-function.patch - update to 1.1.0: + Fix crash with dipole moment after optimization (PR#3521044) + Add test files for QTAIM analysis, including diborane(B2H6), C4H4, and HCO2. These files will be used for a tutorial + Fix residue and atom code assignment + be conservative about changing elements when copying atoms for the same reason - removed avogadro-boost148.patch and avogadro-nostrip.patch - glew no longer requires glu, so buildrequire it explicitly - Use %{optflags} and don't strip binaries - Fix compile with boost 1.48 - fix Copyright header in specfile and license (spdx format) - use _lib macro to determine lib suffix - Remove redundant tags/sections from specfile - Implement baselibs for package - Added check for duplicate files (fix for RPMLINT warning) - Removed name from summary (fix for RPMLINT warning) - Cleaned up spec file formatting - Spec file clean up - removed the obsolete patches due to the new upstream version. - no more crash on openSUSE 11.4 when starting. - new upstream version (bugfix release) * Fixed building of translations on Linux and Mac OS X. * Fixed issues with newer versions of SIP * Import Avogadro automatically in the Python terminal * Some fixes/adjustments for newer versions of Open Babel * Fixed a bug in the bounds for cubes, now isosurfaces align to molecules in all cases * Added picking support in wireframe - enables editing of atoms in this mode * Fixed some crashes when drawing with adjust hydrogens on * Ensure the GAMESS input generator updates when atoms are added, removed or updated * Added some missing entries in the GAMESS input dialog * Fixes to the NWChem input generator * Add LARGE keyword to MOPAC input files to give full output of MOs * Fixed autobonding in animations when rendering in POV-Ray for video * Removed some old CMake code that was no longer needed * Made Linguist optional for Avogadro builds * Fixes for compilation on Windows * Fixed a few memory leaks - removed proprietary test files from the tarball bnc#645306 - removed proprietary test files from the tarball bnc#645306 - move the changelog to .changes to prepare factory submission - new upstream version (Stable release) - new upstream version (bugfix release) - new upstream version (bugfix release) - new upstream version 0.9.5 - disabled update checker - new upstream version 0.9.4 - fixed bug 2737083 : https://sourceforge.net/tracker/?func=detail&aid=2737083&group_id=165310&atid=835077 - new upstream version 0.9.3 - update to version 0.9.2 - added several BuildRequires to allow GLSL module and docs compilation, python module still broken - added fdupes to symlink duplicate files - update to version 0.9.1 - update to version 0.8.1 - lots of fixing and improving: for more info check here: http://avogadro.openmolecules.net/wiki/Avogadro_0.8.1 - made rpmlint happier - update to version 0.8.0 - update to version 0.6.1 - Fixed URL project page - Fixed libavogadro0 and avogadro-devel package - added libavogadro like obsoletes - follow shared library packagin policy: rename libavogadro to libavogadro0 - create a devel package containing the headers files - make the compiler happier: added avogadro-0.2.0-mathmeaning.patch - First spec making
Comments 2
Hi. Could you make the package available in Tumbleweed?
https://build.opensuse.org/request/show/705268 that is the reason why this package was dropped from Tumbleweed, since developer want to get rid of qt4 from Factory, I don't think this is doable, you can ask that by mailing to opensuse-factory@opensuse.org ML.